UCSF

ZINC04164495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 -0.13 -17.39 1 7 0 92 394.456 4
Mid Mid (pH 6-8) 2.50 7 -52.52 0 7 -1 99 393.448 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )